SCHEMBL4438824

SCHEMBL4438824

Cc1cc(C)c(S(=O)(=O)NC(I)(COc2ccc(Br)cc2)C(F)(F)F)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.45
NR3C2 P08235 4/20 0.45
PGR P06401 3/20 0.45
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4448015 0.89 NR3C1 (0.41) NR3C1NR3C2PGRALDH1A1CYP1A2
SCHEMBL4446861 0.88 NR3C1 (0.45) NR3C1NR3C2PGRALDH1A1CYP1A2
SCHEMBL4439342 0.87 NR3C1 (0.39) NR3C1NR3C2PGRALDH1A1CYP1A2
SCHEMBL4448878 0.87 NR3C1 (0.43) NR3C1NR3C2PGRALDH1A1CYP1A2
SCHEMBL4439311 0.82 NR3C1 (0.43) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4446665 0.82 NR3C2 (0.46) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4440438 0.81 NR3C1 (0.41) NR3C1NR3C2PGRALDH1A1CYP1A2
SCHEMBL4438774 0.81 NR3C1 (0.52) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4441148 0.81 NR3C1 (0.45) NR3C1NR3C2PGRALDH1A1CYP1A2
SCHEMBL4438023 0.81 NR3C1 (0.38) NR3C1NR3C2PGRCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136811-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed